[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

C17H17FN4O — CID 126469583

IUPAC[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C17H17FN4O/c18-15-6-2-1-5-13(15)14-10-20-22-16(7-8-19-17(14)22)21-9-3-4-12(21)11-23/h1-2,5-8,10,12,23H,3-4,9,11H2/t12-/m0/s1
InChIKeyKEVIJMKTKNECTF-LBPRGKRZSA-N
MW312.35 g/mol
LogP2.50
Rot. Bonds3

About [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (PubChem CID 126469583) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
PubChem CID126469583
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccnc2c(-c3ccccc3F)cnn12
InChIInChI=1S/C17H17FN4O/c18-15-6-2-1-5-13(15)14-10-20-22-16(7-8-19-17(14)22)21-9-3-4-12(21)11-23/h1-2,5-8,10,12,23H,3-4,9,11H2/t12-/m0/s1
InChIKeyKEVIJMKTKNECTF-LBPRGKRZSA-N
XLogP2.50
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 126475579
[(2S)-1-[3-(1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126474399
[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126473236
3-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 126474263
[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 66995898
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 74810527
(2S)-2-[[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylbutan-1-ol
CID 45489074
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol (CID 126469583) is [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1ccnc2c(-c3ccccc3F)cnn12.
What is the InChIKey of [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
The InChIKey is KEVIJMKTKNECTF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-15-6-2-1-5-13(15)14-10-20-22-16(7-8-19-17(14)22)21-9-3-4-12(21)11-23/h1-2,5-8,10,12,23H,3-4,9,11H2/t12-/m0/s1.
What are the key properties of [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol has a molecular weight of 312.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126469583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).